Geometry & MOs

Info

ID:	314329
PubChem CID:	126621393
Reduced:	ClO2F3N4C20H20 (1)
Stoich.:	AB2C3D4E20F20 (1)
Weight, g/mol:	406.08505
ΔH_f, kcal/mol:	-144.54
Dipole, Da:	3.81
IP(EA), eV:	-8.83(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[2-methyl-4-(4-methylphenyl)phenyl]phenyl] trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CC1=C(N=C(C=C1)C2=NOCC3N2CCN(C3)C4=C(C=C(C=C4)Cl)C(F)(F)F)OC

DOS

IR

Vibrations